2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine

C129H145Cl2N13O6S — CID 162182557

About 2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine

2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine (PubChem CID 162182557) has the molecular formula C129H145Cl2N13O6S and a molecular weight of 2076.64 g/mol. Its IUPAC name is 2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine.

Molecular Properties

• Compound Name: 2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine
• PubChem CID: 162182557
• Molecular Formula: C129H145Cl2N13O6S
• Molecular Weight: 2076.64 g/mol
• Exact Mass: 2074.05
• IUPAC Name: 2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine
• SMILES: CC(C)c1ccc(-c2ccccc2)nc1.CC(C)c1ccc(Cc2ccccc2)nc1.CC(C)c1cnc(Cc2ccccc2Cl)nc1.CC(C)c1cncc(Cc2ccccc2Cl)n1.CNS(=O)(=O)c1ccc(-c2cc(C(C)C)cnc2C)cc1.COc1ccccc1-c1ccc(C(C)C)cn1.Cc1cccc(Oc2ccc(C(C)C)cn2)c1C.Cc1ncc(C(C)C)cc1-c1cccc(C(=O)O)c1.[C-]#[N+]c1ccc(C(C)C)cn1
• InChI: InChI=1S/C16H20N2O2S.C16H17NO2.C16H19NO.C15H17NO.C15H17N.2C14H15ClN2.C14H15N.C9H10N2/c1-11(2)14-9-16(12(3)18-10-14)13-5-7-15(8-6-13)21(19,20)17-4;1-10(2)14-8-15(11(3)17-9-14)12-5-4-6-13(7-12)16(18)19;1-11(2)14-8-9-16(17-10-14)18-15-7-5-6-12(3)13(15)4;1-11(2)12-8-9-14(16-10-12)13-6-4-5-7-15(13)17-3;1-12(2)14-8-9-15(16-11-14)10-13-6-4-3-5-7-13;1-10(2)12-8-16-14(17-9-12)7-11-5-3-4-6-13(11)15;1-10(2)14-9-16-8-12(17-14)7-11-5-3-4-6-13(11)15;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-7(2)8-4-5-9(10-3)11-6-8/h5-11,17H,1-4H3;4-10H,1-3H3,(H,18,19);5-11H,1-4H3;4-11H,1-3H3;3-9,11-12H,10H2,1-2H3;2*3-6,8-10H,7H2,1-2H3;3-11H,1-2H3;4-7H,1-2H3
• InChIKey: ZPFQAUAHVLUMFS-UHFFFAOYSA-N
• XLogP: 33.57
• TPSA: 248.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2076.64
LogP ≤ 5	33.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine?

The IUPAC name of 2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine (CID 162182557) is 2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine.

What is the SMILES notation for 2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine?

The canonical SMILES for 2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine is CC(C)c1ccc(-c2ccccc2)nc1.CC(C)c1ccc(Cc2ccccc2)nc1.CC(C)c1cnc(Cc2ccccc2Cl)nc1.CC(C)c1cncc(Cc2ccccc2Cl)n1.CNS(=O)(=O)c1ccc(-c2cc(C(C)C)cnc2C)cc1.COc1ccccc1-c1ccc(C(C)C)cn1.Cc1cccc(Oc2ccc(C(C)C)cn2)c1C.Cc1ncc(C(C)C)cc1-c1cccc(C(=O)O)c1.[C-]#[N+]c1ccc(C(C)C)cn1.

What is the InChIKey of 2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine?

The InChIKey is ZPFQAUAHVLUMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.C16H17NO2.C16H19NO.C15H17NO.C15H17N.2C14H15ClN2.C14H15N.C9H10N2/c1-11(2)14-9-16(12(3)18-10-14)13-5-7-15(8-6-13)21(19,20)17-4;1-10(2)14-8-15(11(3)17-9-14)12-5-4-6-13(7-12)16(18)19;1-11(2)14-8-9-16(17-10-14)18-15-7-5-6-12(3)13(15)4;1-11(2)12-8-9-14(16-10-12)13-6-4-5-7-15(13)17-3;1-12(2)14-8-9-15(16-11-14)10-13-6-4-3-5-7-13;1-10(2)12-8-16-14(17-9-12)7-11-5-3-4-6-13(11)15;1-10(2)14-9-16-8-12(17-14)7-11-5-3-4-6-13(11)15;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-7(2)8-4-5-9(10-3)11-6-8/h5-11,17H,1-4H3;4-10H,1-3H3,(H,18,19);5-11H,1-4H3;4-11H,1-3H3;3-9,11-12H,10H2,1-2H3;2*3-6,8-10H,7H2,1-2H3;3-11H,1-2H3;4-7H,1-2H3.

What are the key properties of 2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine?

2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine has a molecular weight of 2076.64 g/mol, XLogP of 33.57, 25 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine is sourced from PubChem (CID 162182557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).